Pavetannin C 1

CAS Registry Number®

88038-15-7
No image available.

CAS Name

Pavetannin C 1

Molecular Formula

C60H48O24

Molecular Mass

1153.01

Cite this Page

Pavetannin C 1.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=88038-15-7 (retrieved 2024-09-19) (CAS RN: 88038-15-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C60H48O24/c61-23-13-34(71)42-39(14-23)80-55(20-2-6-26(63)31(68)10-20)52(77)48(42)43-36(73)17-40-46(51(43)76)50-47-41(84-60(83-40,59(50)79)22-4-8-28(65)33(70)12-22)18-37(74)45-49(53(78)56(82-58(45)47)21-3-7-27(64)32(69)11-21)44-35(72)16-29(66)24-15-38(75)54(81-57(24)44)19-1-5-25(62)30(67)9-19/h1-14,16-18,38,48-50,52-56,59,61-79H,15H2

InChIKey

InChIKey=VFVVDFLDUBZQGX-UHFFFAOYSA-N

SMILES

OC1C2C=3C4=C(C(C(O)C(O4)C5=CC(O)=C(O)C=C5)C6=C7C(CC(O)C(O7)C8=CC(O)=C(O)C=C8)=C(O)C=C6O)C(O)=CC3OC1(OC=9C2=C(O)C(=C(O)C9)C%10C=%11C(OC(C%10O)C%12=CC(O)=C(O)C=C%12)=CC(O)=CC%11O)C%13=CC(O)=C(O)C=C%13

Canonical SMILES

OC=1C=C(O)C2=C(OC(C3=CC=C(O)C(O)=C3)C(O)C2C4=C(O)C=C5OC6(OC7=CC(O)=C8C(OC(C9=CC=C(O)C(O)=C9)C(O)C8C=%10C(O)=CC(O)=C%11C%10OC(C%12=CC=C(O)C(O)=C%12)C(O)C%11)=C7C(C5=C4O)C6O)C%13=CC=C(O)C(O)=C%13)C1

Other Names for this Substance

  • 8,14-Methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3,5,11,13,15-pentol, 2,8-bis(3,4-dihydroxyphenyl)-12-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-4-yl]-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl]-3,4-dihydro-, (2R,3R,4S,8S,14R,15R)-
  • 8,14-Methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3,5,11,13,15-pentol, 2,8-bis(3,4-dihydroxyphenyl)-12-[2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-4-yl]-4-[2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl]-3,4-dihydro-, [2R-[2α,3α,4β(2R*,3R*),8β,12(2R*,3R*,4S*),14β,15R*]]-
  • (2R,3R,4S,8S,14R,15R)-2,8-Bis(3,4-dihydroxyphenyl)-12-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-4-yl]-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl]-3,4-dihydro-8,14-methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3,5,11,13,15-pentol
  • Pavetannin C 1